⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11759205 | 0.85 | ACE (0.38) | — | |
| SCHEMBL3516148 | 0.83 | — | — | |
| SCHEMBL279949 | 0.83 | — | — | |
| SCHEMBL98980 | 0.82 | DGKA (0.46) | — | |
| SCHEMBL963759 | 0.81 | GAA (0.52) | — | |
| Ammonia Solution, Strong SCHEMBL28196031 | 0.81 | — | — | |
| SCHEMBL3515604 | 0.81 | FOLH1 (0.50) | — | |
| SCHEMBL3517702 | 0.80 | — | — | |
| SCHEMBL968544 | 0.80 | ACE (0.35) | — | |
| SCHEMBL28080780 | 0.80 | ACE (0.35) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105637410-B | Liquid crystal display element | 日产化学工业株式会社 | 2019-08-02 | — | — | CN | disclosed |
| CN-105637410-A | Liquid crystal display element | NISSAN CHEMICAL IND LTD | 2016-06-01 | — | — | CN | disclosed |
| US-20100190902-A1 | ALKYLTIN SULFANYL ESTER THIOLS | CHEMTURA CORPORATION (US) | 2010-07-29 | — | — | US | disclosed |